2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide

C16H18FN3O3 — CID 121119210

IUPAC2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1cc(=O)n(CCNC(=O)C(C)Oc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O3/c1-11-9-15(21)20(10-19-11)8-7-18-16(22)12(2)23-14-6-4-3-5-13(14)17/h3-6,9-10,12H,7-8H2,1-2H3,(H,18,22)
InChIKeyCFLAPEOUTBWJAB-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide

2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121119210) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121119210
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1cc(=O)n(CCNC(=O)C(C)Oc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O3/c1-11-9-15(21)20(10-19-11)8-7-18-16(22)12(2)23-14-6-4-3-5-13(14)17/h3-6,9-10,12H,7-8H2,1-2H3,(H,18,22)
InChIKeyCFLAPEOUTBWJAB-UHFFFAOYSA-N
XLogP1.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119224
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-methylsulfanylbenzamide
CID 121119327
(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 95369177
1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119455
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 121120140
3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119555
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121119210) is 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide is Cc1cc(=O)n(CCNC(=O)C(C)Oc2ccccc2F)cn1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is CFLAPEOUTBWJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-11-9-15(21)20(10-19-11)8-7-18-16(22)12(2)23-14-6-4-3-5-13(14)17/h3-6,9-10,12H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 319.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).